CID 3833816

27461-00-3

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

C1CCCC2=C(CC1)N=C(S2)N

InChI

InChI=1S/C9H14N2S/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H2,(H2,10,11)

InChIKey

WGULVBTUKIEYSA-UHFFFAOYSA-N

Compound name

4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 182.08777 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.09505	140.7
[M+Na]+	205.07699	143.9
[M+NH4]+	200.12159	144.0
[M+K]+	221.05093	143.3
[M-H]-	181.08049	141.6
[M+Na-2H]-	203.06244	143.7
[M]+	182.08722	141.4
[M]-	182.08832	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe